2-(2,6-Dimethylphenoxy)aniline

Base Information

• Chemical Name: 2-(2,6-Dimethylphenoxy)aniline
• CAS No.: 38629-93-5
• Molecular Formula: C14H15NO
• Molecular Weight: 213.279
• Hs Code.: 2922299090
• European Community (EC) Number: 692-860-4
• DSSTox Substance ID: DTXSID40363707
• Wikidata: Q82147453
• Mol file: 38629-93-5.mol

Synonyms:2-(2,6-dimethylphenoxy)aniline;38629-93-5;2-(2',6'-Dimethylphenoxy)-phenylamine;SCHEMBL5407662;DTXSID40363707;MFCD03426214;AKOS000215494;2-(2',6'-dimethylphenoxy)phenylamine;benzenamine,2-(2,6-dimethylphenoxy)-;SB78982;CS-0251122;EN300-53645;Z330803856

Chemical Property of 2-(2,6-Dimethylphenoxy)aniline

Chemical Property:

• Vapor Pressure: 0.000656mmHg at 25°C
• Boiling Point: 309°C at 760 mmHg
• Flash Point: 135.1°C
• PSA: 35.25000
• Density: 1.094g/cm³
• LogP: 4.25910
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.115364102
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

97% purity ^*data from raw suppliers

2-(2'',6''-Dimethylphenoxy)-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)OC2=CC=CC=C2N

Technology Process of 2-(2,6-Dimethylphenoxy)aniline

There total 3 articles about 2-(2,6-Dimethylphenoxy)aniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

1,3-dimethyl-2-(2-nitrophenoxy)benzene (22100-54-5) → 2-(2,6-dimethylphenoxy)aniline (38629-93-5)

Guidance literature:

With palladium 10% on activated carbon; hydrazine hydrate; In ethanol; tert-butyl methyl ether; for 24h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmc.2020.115655

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) → 2-(2,6-dimethylphenoxy)aniline (38629-93-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 24 h / 100 °C

2: palladium 10% on activated carbon; hydrazine hydrate / ethanol; tert-butyl methyl ether / 24 h / Inert atmosphere; Reflux

With palladium 10% on activated carbon; potassium carbonate; hydrazine hydrate; In ethanol; tert-butyl methyl ether; dimethyl sulfoxide;

DOI:10.1016/j.bmc.2020.115655

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-(2,6-dimethylphenoxy)aniline (38629-93-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 24 h / 100 °C

2: palladium 10% on activated carbon; hydrazine hydrate / ethanol; tert-butyl methyl ether / 24 h / Inert atmosphere; Reflux

With palladium 10% on activated carbon; potassium carbonate; hydrazine hydrate; In ethanol; tert-butyl methyl ether; dimethyl sulfoxide;

DOI:10.1016/j.bmc.2020.115655

upstream raw materials:

1,3-dimethyl-2-(2-nitrophenoxy)benzene

2.6-dimethylphenol

ortho-nitrofluorobenzene

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